Dear Discovery Cluster users,
 
The following is the software update on Discovery Cluster.

1) Gaussian 16 and GaussView 6 are updated on Discovery Cluster;

[hliu@compute-0-021 ~]$ module whatis gaussian-16
gaussian-16          : loads the modules environment for Gaussian 16 (no Linda).

Needs the following modules to be loaded as prerequisites
module load gnu-4.4-compilers (for certain run-time kernel libraries)
module load gnu-4.9.3-compilers
module load fftw-3.3.3-single
module load fftw-3.3.3
module load platform-mpi

Now run
>>source /shared/apps/gaussian/gaussian-16/g16/bsd/g16.profile

Put these module load commands and source command in your .bashrc file that is found in your /home/<user-id> directory.
TO USE gaussian 16, you must be added to the gaussian users group on Discovery cluster - as the software package requires users to be members of this group. For this reason email [log in to unmask] that you want to use gaussian 09 on Discovery Cluster and we will add you to the gaussian group. Only after this will you be able to use gaussian 16. DO NOT TRY to run gaussian 16 (g16) until we do this as the jobs will core dump.


[hliu@compute-0-021 ~]$ module whatis gaussview-6
gaussview-6          : loads the modules environment for GaussView 6.

Needs the following modules to be loaded as prerequisites
module load gnu-4.4-compilers (for certain run-time kernel libraries)
module load gnu-4.9.3-compilers
module load fftw-3.3.3-single
module load fftw-3.3.3
module load platform-mpi
module load gaussian-16

Now run
>>source /shared/apps/gaussian/gaussian-16/g16/bsd/g16.profile

Put these module load commands and source command in your .bashrc file that is found in your /home/<user-id> directory.
TO USE GaussView 6, you must be added to the gaussian users group on Discovery cluster - as the software package requires users to be members of this group. For this reason email [log in to unmask] that you want to use GaussView 6 on Discovery Cluster and we will add you to the gaussian group. Only after this will you be able to use GaussView 6. DO NOT TRY to run GaussView 6 (gview) until we do this as the program will core dump.


2) Binutils has been updated from 2.20 to 2.29 (latest version) on discovery2;
https://www.gnu.org/software/binutils/

old version is Binutils 2.20

[hliu@discovery2 ~]$ ld -V
GNU ld version 2.20.51.0.2-5.34.el6 20100205
  Supported emulations:
   elf_x86_64
   elf_i386
   i386linux
   elf_l1om

[hliu@discovery2 ~]$ as --version
GNU assembler version 2.20.51.0.2-5.34.el6 20100205
Copyright 2009 Free Software Foundation, Inc.
This program is free software; you may redistribute it under the terms of
the GNU General Public License version 3 or later.
This program has absolutely no warranty.
This assembler was configured for a target of `x86_64-redhat-linux'.

After updated to 2.29,
[hliu@discovery2 ~]$ ld -V
GNU ld (GNU Binutils) 2.29
  Supported emulations:
   elf_x86_64
   elf32_x86_64
   elf_i386
   elf_iamcu
   i386linux
   elf_l1om
   elf_k1om

[hliu@discovery2 ~]$ as --version
GNU assembler (GNU Binutils) 2.29
Copyright (C) 2017 Free Software Foundation, Inc.
This program is free software; you may redistribute it under the terms of
the GNU General Public License version 3 or later.
This program has absolutely no warranty.
This assembler was configured for a target of `x86_64-pc-linux-gnu'.

[hliu@discovery2 ~]$ nm --version
GNU nm (GNU Binutils) 2.29
Copyright (C) 2017 Free Software Foundation, Inc.
This program is free software; you may redistribute it under the terms of
the GNU General Public License version 3 or (at your option) any later version.
This program has absolutely no warranty.


Enjoy your computing on Discovery!